cyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate

C15H20N2O3 — CID 47348411

IUPACcyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate
SMILESCC(C)NC(=O)Nc1cccc(C(=O)OCC2CC2)c1
InChIInChI=1S/C15H20N2O3/c1-10(2)16-15(19)17-13-5-3-4-12(8-13)14(18)20-9-11-6-7-11/h3-5,8,10-11H,6-7,9H2,1-2H3,(H2,16,17,19)
InChIKeyREENFJRHKPCFPP-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.78
Rot. Bonds5

About cyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate

cyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate (PubChem CID 47348411) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is cyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Namecyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate
PubChem CID47348411
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namecyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate
SMILESCC(C)NC(=O)Nc1cccc(C(=O)OCC2CC2)c1
InChIInChI=1S/C15H20N2O3/c1-10(2)16-15(19)17-13-5-3-4-12(8-13)14(18)20-9-11-6-7-11/h3-5,8,10-11H,6-7,9H2,1-2H3,(H2,16,17,19)
InChIKeyREENFJRHKPCFPP-UHFFFAOYSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid
CID 119194825
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 86983303
N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119387911
N-(cyanomethyl)-N-cyclopropyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 51097004
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 47829854
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
ethyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 47221039
methyl 3-(2-cyclopropylethoxycarbonylamino)benzoate
CID 175903271

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate?
The IUPAC name of cyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate (CID 47348411) is cyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate.
What is the SMILES notation for cyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate?
The canonical SMILES for cyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate is CC(C)NC(=O)Nc1cccc(C(=O)OCC2CC2)c1.
What is the InChIKey of cyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate?
The InChIKey is REENFJRHKPCFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)16-15(19)17-13-5-3-4-12(8-13)14(18)20-9-11-6-7-11/h3-5,8,10-11H,6-7,9H2,1-2H3,(H2,16,17,19).
What are the key properties of cyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate?
cyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate has a molecular weight of 276.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 3-(propan-2-ylcarbamoylamino)benzoate is sourced from PubChem (CID 47348411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).